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Methyl 4-(3-Chloropropyl)-5-(2-cyanoethyl)-3-hydroxy-1,1'-biphenyl-2-carboxylate
SpectraBase Compound ID 4DS8racmPpd
InChI InChI=1S/C20H20ClNO3/c1-25-20(24)18-17(14-7-3-2-4-8-14)13-15(9-6-12-22)16(19(18)23)10-5-11-21/h2-4,7-8,13,23H,5-6,9-11H2,1H3
InChIKey HCFCLNFJFROZMP-UHFFFAOYSA-N
Mol Weight 357.84 g/mol
Molecular Formula C20H20ClNO3
Exact Mass 357.113171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTkJrbgKwVL
Name Methyl 4-(3-Chloropropyl)-5-(2-cyanoethyl)-3-hydroxy-1,1'-biphenyl-2-carboxylate
Alternate Name(s) Methyl 4-(3-chloropropyl)-5-(2-cyanoethyl)-3-hydroxy-[1,1'-biphenyl]-2-carboxylate
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Formula C20H20ClNO3
InChI InChI=1S/C20H20ClNO3/c1-25-20(24)18-17(14-7-3-2-4-8-14)13-15(9-6-12-22)16(19(18)23)10-5-11-21/h2-4,7-8,13,23H,5-6,9-11H2,1H3
InChIKey HCFCLNFJFROZMP-UHFFFAOYSA-N
Molecular Weight 357.837 g/mol
SMILES Oc1c(c(cc(c1CCCCl)CCC#N)-c1ccccc1)C(=O)OC
SPLASH splash10-0006-0193000000-0abbf83372f2448b3e23
Source of Spectrum H-96-2189-5h
Wiley ID 1784625